SCHEMBL9869220

SCHEMBL9869220

O=C(O)c1cn(-c2ccccc2)c2c(Cl)c(N3CCCC3)c(F)cc2c1=O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.62
HSD17B10 Q99714 1/20 0.62
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 3/20 0.57
POLB P06746 2/20 0.57
HSP90AA1 P07900 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
TOP2A P11388 10/20 0.49
TOP2B Q02880 7/20 0.49
TOP1 P11387 3/20 0.45
PIM1 P11309 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9869795 0.91 KDM4E (0.58) HPGDHSD17B10KDM4EALDH1A1POLB
SCHEMBL9869882 0.91 TOP2A (0.61) HPGDHSD17B10KDM4EALDH1A1POLB
SCHEMBL10374981 0.89 HPGD (0.75) HPGDHSD17B10KDM4EALDH1A1POLB
SCHEMBL10911270 0.88 HPGD (0.49) HPGDHSD17B10KDM4EALDH1A1POLB
SCHEMBL10374985 0.88 HPGD (0.74) HPGDHSD17B10KDM4EALDH1A1POLB
SCHEMBL28942281 0.86 HPGD (0.52) HPGDHSD17B10KDM4EALDH1A1POLB
SCHEMBL29690215 0.86 HPGD (0.52) HPGDHSD17B10KDM4EALDH1A1POLB
SCHEMBL9869932 0.84 ALDH1A1 (0.62) HPGDHSD17B10KDM4EALDH1A1POLB
SCHEMBL9869688 0.83 TOP1 (0.60) HPGDHSD17B10KDM4EALDH1A1POLB
SCHEMBL5533196 0.82 PIM1 (0.48) HPGDHSD17B10KDM4EALDH1A1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4981854-A BACTERICIDES, ANIMAL GROWTH REGUALTORS BAYER AKTIENGESELLSCHAFT (DE) 1991-01-01 US claimed
US-4980353-A BACTERICIDES, ANIMAL GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1990-12-25 US claimed
US-4981854-A BACTERICIDES, ANIMAL GROWTH REGUALTORS BAYER AKTIENGESELLSCHAFT (DE) 1991-01-01 US disclosed
US-4980353-A BACTERICIDES, ANIMAL GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1990-12-25 US disclosed
EP-0201829-A1 1-Aryl-4-quinolone-3-carboxylic acids BAYER AG (DE) 1986-11-20 EP disclosed